8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

C24H30F6N2O6S — CID 155864094

About 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155864094) has the molecular formula C24H30F6N2O6S and a molecular weight of 588.57 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155864094
• Molecular Formula: C24H30F6N2O6S
• Molecular Weight: 588.57 g/mol
• Exact Mass: 588.17
• IUPAC Name: 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1CN(Cc2cccs2)CC12CCN(Cc1ccoc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H28N2O2S.2C2HF3O2/c1-23-15-18-12-22(13-19-3-2-10-25-19)16-20(18)5-7-21(8-6-20)11-17-4-9-24-14-17;2*3-2(4,5)1(6)7/h2-4,9-10,14,18H,5-8,11-13,15-16H2,1H3;2*(H,6,7)
• InChIKey: WZYJPBDKEXIZES-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.57
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 155864094) is 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is COCC1CN(Cc2cccs2)CC12CCN(Cc1ccoc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is WZYJPBDKEXIZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S.2C2HF3O2/c1-23-15-18-12-22(13-19-3-2-10-25-19)16-20(18)5-7-21(8-6-20)11-17-4-9-24-14-17;2*3-2(4,5)1(6)7/h2-4,9-10,14,18H,5-8,11-13,15-16H2,1H3;2*(H,6,7).

What are the key properties of 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 588.57 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155864094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).